diallyl phthalate

Synonyms: "diallyl phthalate", "allyl phthalate", "phthalic acid diallyl ester", "Dapon R", "Diallylphthalate", "Dapon 35", "diallylester phthalic acid", "di-2-propenyl 1,2-benzenedicarboxylate".

Source: Diallyl Phthalate is used as a reagent in ring-closing ruthenium based reactions.

Identifiers:

IUPAC Name: bis(prop-2-enyl) benzene-1,2-dicarboxylate
CAS Number: 131-17-9
PubChem ID: 8560
InChiKey: QUDWYFHPNIMBFC-UHFFFAOYSA-N
Canonical SMILES: C=CCOC(=O)C1=CC=CC=C1C(=O)OCC=C

Structural Properties:

Molecular Formula: C₁₄H₁₄O₄
Molecular Weight: 246.262

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 4
Number of atoms different from hydrogen: 18

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Aarab N, Lemaire-Gony S, Unruh E, Hansen PD, Larsen BK, Andersen OK, Narbonne JR. 2006. Preliminary study of responses in mussel (Mytilus edilus) exposed to bisphenol A, diallyl phthalate and tetrabromodiphenyl ether. Aquatic Toxicology 78 Suppl 1:S86-S92. DOI: 10.1016/j.aquatox.2006.02.021. URL: https://doi.org/10.1016/j.aquatox.2006.02.021.
Kim YJ, Ryu JC. 2006. Evaluation of estrogenic effects of phthalate analogues using in vitro and in vivo screening assays. Molecular and Cellular Toxicology 2(2):106-113. URL: http://www.koreascience.or.kr/article/ArticleFullRecord.jsp?cn=DDODB@_2006_v2n2_106.